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Interactions enhance dispersion in fluctuating channels via emergent flows

Published online by Cambridge University Press:  27 September 2023

Y. Wang
Affiliation:
Courant Institute of Mathematical Sciences, New York University, New York, NY, USA
D.S. Dean
Affiliation:
University of Bordeaux, CNRS, LOMA, UMR 5798, F-33400 Talence, France Team MONC, INRIA Bordeaux Sud Ouest, CNRS UMR 5251, Bordeaux INP, University of Bordeaux, F-33400 Talence, France
S. Marbach*
Affiliation:
Courant Institute of Mathematical Sciences, New York University, New York, NY, USA CNRS, Sorbonne Université, Physicochimie des Electrolytes et Nanosystèmes Interfaciaux, F-75005 Paris, France
R. Zakine*
Affiliation:
Courant Institute of Mathematical Sciences, New York University, New York, NY, USA Chair of Econophysics and Complex Systems, École Polytechnique, 91128 Palaiseau Cedex, France LadHyX UMR CNRS 7646, École Polytechnique, 91128 Palaiseau Cedex, France
*
Email addresses for correspondence: sophie@marbach.fr, ruben.zakine@ladhyx.polytechnique.fr
Email addresses for correspondence: sophie@marbach.fr, ruben.zakine@ladhyx.polytechnique.fr

Abstract

Understanding particle motion in narrow channels can guide progress in numerous applications, from filtration to vascular transport. Thermal or active fluctuations of fluid-filled channel walls can slow down or increase the dispersion of tracer particles via entropic trapping in the wall bulges or hydrodynamic flows induced by wall fluctuations, respectively. Previous studies concentrated primarily on the case of a single Brownian tracer. Here, we address what happens when there is a large ensemble of interacting Brownian tracers – a common situation in applications. Introducing repulsive interactions between tracer particles, while ignoring the presence of a background fluid, leads to an effective flow field. This flow field enhances tracer dispersion, a phenomenon reminiscent of that seen for single tracers in incompressible background fluid. We characterise the dispersion by the long-time diffusion coefficient of tracers numerically and analytically with a mean-field density functional analysis. We find a surprising effect where an increased particle density enhances the diffusion coefficient, challenging the notion that crowding effects tend to reduce diffusion. Here, inter-particle interactions push particles closer to the fluctuating channel walls. Interactions between the fluctuating wall and the now-nearby particles then drive particle mixing. Our mechanism is sufficiently general that we expect it to apply to various systems. In addition, our perturbation theory quantifies dispersion in generic advection–diffusion systems.

Information

Type
JFM Papers
Creative Commons
Creative Common License - CCCreative Common License - BYCreative Common License - SA
This is an Open Access article, distributed under the terms of the Creative Commons Attribution-ShareAlike licence (http://creativecommons.org/licenses/by-sa/4.0), which permits re-use, distribution, and reproduction in any medium, provided the same Creative Commons licence is used to distribute the re-used or adapted article and the original article is properly cited.
Copyright
© The Author(s), 2023. Published by Cambridge University Press.
Figure 0

Figure 1. Set-up to study the transport of tracers in an interacting system with fluctuating boundaries. (a) Tracer particles (yellow) perform a random walk within this wiggling environment, here represented by a top, moving wall (red arrows). (b) We consider pairwise, soft, repulsive interactions between particles, and we vary the interaction strength $\alpha$ and the particle number density $\rho _0$ to investigate more or less crowded environments.

Figure 1

Figure 2. Transport properties of non-interacting tracers in a periodic driven channel; comparison between a compressible (ideal gas) and an incompressible supporting fluid. (a) Long-time longitudinal diffusion coefficient and (b) drift of particles, with $Pe = \omega _0/D_0 k_0^2 =v_{wall}L/(2{\rm \pi} D_0)$. In (a) and (b), error bars corresponding to one standard over 10 independent runs are smaller than point size, except for (b) small $Pe$, since $V_{eff} \simeq v_{wall} \sim 0.01 \ell _0/\tau _0$ is small compared to the noise level. Ideal gas theory corresponds to (2.18) and (2.19), and incompressible fluid to (2.24) and (2.25). Stationary density profiles of particles for $v_{wall}=0.1 \ell _0/\tau _0$ (or $Pe \simeq 3$) for (c) the ideal gas and (d) an incompressible fluid, for $v_{wall}=0.5 \ell _0/\tau _0$ ($Pe \simeq 16$). Blue arrows show the velocity field in the channel, represented in the referential of the moving wall, with length proportional to magnitude (arbitrary scale). The colour scale for the density profiles is shared in (c) and (d), and yellow (purple) regions indicate regions of high (low) density. Other numerical parameters are $L=200\ell _0$, $H=12 \ell _0$, $h_0=3\ell _0$ and $D_0=1 \ell _0^2/\tau _0$.

Figure 2

Figure 3. Transport properties of a fluid of interacting particles: (a) effective diffusion and (b) mean drift, for a compressible fluid of soft-core interacting Brownian particles with varying density $\rho _0$. Numerical parameters used here are similar to those in figure 2, with additionally $L=200 d_c$, $d_c = 2^{1/6}\ell _0 \simeq 1.12\ell _0$ and $\alpha =1 k_B T/\ell _0^2$. Error bars correspond to one standard deviation over 10 independent runs. Error bars for lower-density values are larger due to a smaller number of tracked particles (see table 1). Theory curves for the ideal gas and incompressible fluid are the same as for figures 2(a,b). Theory curves for the fluid of interacting particles correspond to (4.19) and (4.20).

Figure 3

Figure 4. Particle distribution within the channel for varying particle densities. (a,b) Particle distribution in a fluid of interacting particles at high density $\rho _0=10 \ell _0^{-2}$: (a) for intermediate wall velocity $v_{wall}=0.1 \ell _0/\tau _0$, and (b) for high wall velocity $v_{wall}=0.5 \ell _0/\tau _0$. The colour scale for the density profiles is shared between (a) and (b), and yellow (purple) regions indicate regions of high (low) density. (c,d) Marginal density $p(x)=\int \rho (x,y) \,\text {d} y$ of particles in the channel, calculated by integrating the two-dimensional density profile in (a) over vertical slabs as with the dashed grey box: (c) $p(x)$ for different values of $v_{wall}$, and (d) for different values of particle density $\rho _0$. Numerical parameters used here are similar to those in figure 3. Theory curves correspond to (4.10).

Figure 4

Figure 5. Local drift and particle density profiles within the channel for varying mean particle densities. (ac) Simulation results for increasing mean density for simulations with interacting particles. (d) Simulation results for the incompressible fluid case. Note that (d) corresponds to figure 2(d) and is shown as a reminder. The colour scale for the density profiles is shared between all plots. Yellow (purple) regions indicate regions of high (low) density. The blue arrows correspond to the local velocity of particles (averaged over time), and the length of the arrows is proportional to the magnitude of the velocity. The scale of the arrows is arbitrary but is the same across all plots, hence small arrows in (a) indeed indicate very weak velocity fields compared to (c) or (d). The interaction strength for (ac) is $\alpha = 1 k_B T/\ell _0^2$, and other numerical parameters are similar to those in figure 3. For all plots, $v_{wall} = 0.5 \ell_0 /\tau_0$.

Figure 5

Figure 6. Radial potential $\mathcal {V}_{int}$ (blue) and its one-dimensional smoothed out version $\mathcal {U}_{int}$ (red). Parameters are $d_c=1 \ell _0$ and $\alpha =2 k_B T / \ell _0^2$.

Figure 6

Table 1. Typical simulation parameters for an interacting particle system.

Figure 7

Figure 7. Effective diffusion of a tracer in a homogeneous bath of soft-core interacting particles as a function of (a) the particle density $\rho _0$, and (b) the interaction strength $\alpha$. The tracer is identical to the particles of the bath. Solid lines are obtained from the computation in Démery et al. (2014), and symbols correspond to simulation results. For (a), we fix $\alpha = 1 k_BT/\ell _0^2$ and channel height $H=20\ell _0$, and we simulate for $N=[1,2,5,10,20,10,20] \times 10^3$ particles in a two-dimensional flat channel of length $L=[500,500,500,500,500,100,100] \ell _0$ with periodic boundary conditions. For (b), a couple of values of $\rho _0$ (indicated in the legend) are used. Error bars correspond to one standard deviation over 10 independent runs.

Figure 8

Figure 8. Vertical density profile near the repulsive confining wall of particle systems for (a) various particle densities and (b) various interaction strengths. Numerical systems correspond to those detailed in figures 3 and 10, and the confining wall is set in both cases as $y = h(x = L/2) = H - h_0 = (12 - 3)\ell_0 = 9\ell _0$. Hence particle systems extend up to $\delta h \sim \ell _0$ into the confining wall.

Figure 9

Figure 9. Effective (a) diffusion and (b) advection normalised by wall velocity for an ideal Brownian gas as a function of the Péclet number, for different values of the channel height $H$. Error bars correspond to one standard deviation over 10 independent runs. Theory curves correspond to (2.18) and (2.19). Stationary density profiles in the periodic channel for different values of $H$: (c) $H=4\ell _0$, (d) $H=12\ell _0$, and (e) $H=20\ell _0$. (c,d,e) share the same colour scale, where yellow (purple) regions indicate regions of high (low) density, and are all presented for $v_{wall} = 0.5 \ell _0/\tau _0$, corresponding to $Pe \simeq 16$. Numerical parameters are the same as for figure 2, in particular $L = 200\ell _0$.

Figure 10

Figure 10. Effective (a) diffusion and (b) mean drift for a compressible fluid of soft-core interacting Brownian particles with varying interaction strength $\alpha$. Numerical parameters used here are similar to those in figure 3, and $\rho _0 =1 \ell _0^{-2}$. Error bars correspond to one standard deviation over 10 independent runs. Theory curves for the ideal gas and incompressible fluid are the same as for figures 2(a,b). Theory curves for the fluid of interacting particles correspond to (4.19) and (4.20).

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